1-(7-fluoro-5,6-dihydro-1-benzofuran-2-yl)ethanone

C10H9FO2 — CID 167020813

IUPAC1-(7-fluoro-5,6-dihydro-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2c(o1)=C(F)CCC=2
InChIInChI=1S/C10H9FO2/c1-6(12)9-5-7-3-2-4-8(11)10(7)13-9/h3,5H,2,4H2,1H3
InChIKeyILMSLSRKPGZXTE-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.13
Rot. Bonds1

About 1-(7-fluoro-5,6-dihydro-1-benzofuran-2-yl)ethanone

1-(7-fluoro-5,6-dihydro-1-benzofuran-2-yl)ethanone (PubChem CID 167020813) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 1-(7-fluoro-5,6-dihydro-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-fluoro-5,6-dihydro-1-benzofuran-2-yl)ethanone
PubChem CID167020813
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name1-(7-fluoro-5,6-dihydro-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2c(o1)=C(F)CCC=2
InChIInChI=1S/C10H9FO2/c1-6(12)9-5-7-3-2-4-8(11)10(7)13-9/h3,5H,2,4H2,1H3
InChIKeyILMSLSRKPGZXTE-UHFFFAOYSA-N
XLogP1.13
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-5,6-dihydro-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(7-fluoro-5,6-dihydro-1-benzofuran-2-yl)ethanone (CID 167020813) is 1-(7-fluoro-5,6-dihydro-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(7-fluoro-5,6-dihydro-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(7-fluoro-5,6-dihydro-1-benzofuran-2-yl)ethanone is CC(=O)c1cc2c(o1)=C(F)CCC=2.
What is the InChIKey of 1-(7-fluoro-5,6-dihydro-1-benzofuran-2-yl)ethanone?
The InChIKey is ILMSLSRKPGZXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c1-6(12)9-5-7-3-2-4-8(11)10(7)13-9/h3,5H,2,4H2,1H3.
What are the key properties of 1-(7-fluoro-5,6-dihydro-1-benzofuran-2-yl)ethanone?
1-(7-fluoro-5,6-dihydro-1-benzofuran-2-yl)ethanone has a molecular weight of 180.18 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-5,6-dihydro-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 167020813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).